Methionyl-aspartyl-phenylalaninamide structure

Methionyl-aspartyl-phenylalaninamide

(3S)-3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

Also Known As: Met-asp-phe-NH2|MAPN|Methionyl-aspartyl-phenylalaninamide|Gastrin (13-15)|methionyl-aspartyl-phenylalanine amide|L-Phenylalaninamide, L-methionyl-L-alpha-aspartyl-|(3S)-3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid|(3S)-3-{[(2S)-2-Amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-4-hydroxy-4-{[(2S)-1-hydroxy-1-imino-3-phenylpropan-2-yl]imino}butanoic acid|3-{[2-Amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-4-hydroxy-4-[(1-hydroxy-1-imino-3-phenylpropan-2-yl)imino]butanoic acid

CAS: 5934-92-9
Molecular Formula C18H26N4O5S
Molecular Weight 410.16238 g/mol
LogP -2.6
Topological Polar Surface Area 190.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
Rotatable Bonds 12
Exact Mass 410.16238
Monoisotopic Mass 410.16238
Heavy Atoms 28
Complexity 554.0

Chemical Identifiers

CAS Number 5934-92-9
SMILES CSCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)N
InChIKey SIWKJSQISPNWDG-IHRRRGAJSA-N

Product Overview

Methionyl-aspartyl-phenylalaninamide (CAS 5934-92-9), with molecular formula C18H26N4O5S and molecular weight 410.16238 g/mol. IUPAC: (3S)-3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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